4-Oxo-4-(2-thienyl)butanoic acid

Basic Information

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CAS Number

4653-08-1

Molecular Formula

C8H8O3S

Molecular Weight

184.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

118-121 °C

Boiling Point

400.5℃ at 760 mmHg

Density

1.334

Flash Point

196℃

SMILES

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C1=CSC(=C1)C(=O)CCC(=O)O

InChI

InChI=1S/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)

InChIKey

ULJMYWHLMLRYSO-UHFFFAOYSA-N

LogP

1.7956

Topological Polar Surface Area

54.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

191

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Z56857914
2-Thiophenebutanoic acid, gamma-oxo-
CS-0008965
4-(2-thienyl)-4-oxobutyric acid
2-Thiophenebutanoic acid, .gamma.-oxo-
J-640133
4-oxo-4-thiophen-2-ylbutanoic acid
MFCD00022502
3-(2-Thenoyl)propionic acid
4-oxo-4 (2-thienyl)butanoic acid
NSC-9624
NSC31635
CHEMBL4463491
AC-7356
NCGC00341556-01
3-(2-thenoyl)propanoic acid
DTXSID10196867
4-(2-thiophenyl)-4-oxobutanoic acid
4-Oxo-4-(2-thienyl)butyric acid
4-oxo-4-(2-thiophenyl)butanoic acid
CHEBI:64434
4-(2-thienyl)-4-keto-butyric acid
NSC-31635
BB 0218447
EN300-00085
4-(thien-2-yl)-4-oxobutyric acid
4-(thien-2-yl)-4-oxobutanoic acid
HMS1406I21
4-oxo-4-(thien-2-yl)butyric acid
2-Thiophenebutanoic acid, -oxo-
FT-0635379

MDL Number

MFCD00022502

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 4-Oxo-4-(2-thienyl)butanoic acid (CAS: 4653-08-1)?

4-Oxo-4-(2-thienyl)butanoic acid (CAS: 4653-08-1) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes health, environmental, and physical hazard classifications. In the European Union, it is also subject to the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulation. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) have specific requirements for its handling, storage, and disposal.

Are there alternatives to 4-Oxo-4-(2-thienyl)butanoic acid (CAS: 4653-08-1) in synthesis?

Several alternatives can be considered in the synthesis of 4-Oxo-4-(2-thienyl)butanoic acid (CAS: 4653-08-1). These include using related thiophene analogs or isomorphic carboxylic acids. Common alternative reagents like thioacetamide or thiophene derivatives can also serve as precursors, potentially offering similar properties or functional groups.

What is the market or research trend for 4-Oxo-4-(2-thienyl)butanoic acid (CAS: 4653-08-1)?

The market for 4-Oxo-4-(2-thienyl)butanoic acid (CAS: 4653-08-1) is growing due to its applications in pharmaceuticals and materials science. Research trends include its use as a drug candidate and as a precursor for polymer synthesis. The demand is driven by increasing interest in thiophene-containing compounds for their unique electronic and structural properties.

How should waste containing 4-Oxo-4-(2-thienyl)butanoic acid (CAS: 4653-08-1) be handled?

Waste containing 4-Oxo-4-(2-thienyl)butanoic acid (CAS: 4653-08-1) should be collected in properly labeled containers and handled according to local hazardous waste regulations. Incineration or professional waste disposal services are recommended to ensure complete destruction or safe disposal. Environmental protection measures include minimizing exposure and ensuring no spills occur during handling and disposal to prevent soil and water contamination.